General Information of the Compound
| Compound ID |
CP0471718
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| Compound Name |
(1R,4aR,5S,6R,8aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(2E)-2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxolan-3-ylidene]ethyl]-1,4a-dimethylspiro[3,4,5,7,8,8a-hexahydronaphthalene-6,2'-oxirane]-2-one
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| Structure |
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| Formula |
C32H56O6Si2
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| Molecular Weight |
592.966
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| Canonical SMILES |
CC(C)(C)[Si](C)(C)OC[C@@]1(C)[C@H]2CC[C@]3(CO3)[C@@H](C\C=C3/[C@@H](COC3=O)O[Si](C)(C)C(C)(C)C)[C@]2(C)CCC1=O
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| InChI |
InChI=1S/C32H56O6Si2/c1-28(2,3)39(9,10)37-20-31(8)24-15-18-32(21-36-32)25(30(24,7)17-16-26(31)33)14-13-22-23(19-35-27(22)34)38-40(11,12)29(4,5)6/h13,23-25H,14-21H2,1-12H3/b22-13+/t23-,24+,25+,30-,31+,32+/m1/s1
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| InChIKey |
XSXSHQWMZJSEDQ-QRJNCORLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01503, Signal transducer and activator of transcription 3